CHEMBL4059614
SMILES | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(C#N)cc4)nn3c2)cc1 |
InChIKey | RBQKELFVIZDWRC-QFIPXVFZSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 436.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
FFA1 | FFAR1 | Human | Free fatty acid | A | pKi | 7.46 | 7.46 | 7.46 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
FFA1 | FFAR1 | Human | Free fatty acid | A | pEC50 | 6.35 | 7.2 | 8.05 | ChEMBL |
FFA1 | FFAR1 | Rat | Free fatty acid | A | pEC50 | 6.67 | 6.67 | 6.67 | ChEMBL |